N-[6-azanyl-1-butyl-2,4-bis(oxidanylidene)pyrimidin-5-yl]-N-butyl-2-phenylsulfanyl-propanamide

Systemtic Name: N-[6-azanyl-1-butyl-2,4-bis(oxidanylidene)pyrimidin-5-yl]-N-butyl-2-phenylsulfanyl-propanamide Openeye Name: N-(6-amino-1-butyl-2,4-dioxo-pyrimidin-5-yl)-N-butyl-2-phenylsulfanyl-propanamide CAS Name: N-(6-amino-1-butyl-2,4-dioxo-5-pyrimidinyl)-N-butyl-2-(phenylthio)propanamide IUPAC Name: N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-butyl-2-phenylsulfanylpropanamide Traditional Name: N-(6-amino-1-butyl-2,4-diketo-pyrimidin-5-yl)-N-butyl-2-(phenylthio)propionamide Formula: C21H30N4O3S MolecularWeight: 418.5529

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=C(C(=O)NC1=O)N(CCCC)C(=O)C(C)SC2=CC=CC=C2)N

Isomeric SMILES

CCCCN1C(=C(C(=O)NC1=O)N(CCCC)C(=O)C(C)SC2=CC=CC=C2)N

InChI

InChI=1S/C21H30N4O3S/c1-4-6-13-24(20(27)15(3)29-16-11-9-8-10-12-16)17-18(22)25(14-7-5-2)21(28)23-19(17)26/h8-12,15H,4-7,13-14,22H2,1-3H3,(H,23,26,28)